2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-1H-quinazolin-4-one Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-1H-quinazolin-4-one CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-1H-quinazolin-4-one Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-1H-quinazolin-4-one Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C21H17N3O3/c1-12-9-16(20-22-17-6-4-3-5-15(17)21(25)23-20)13(2)24(12)14-7-8-18-19(10-14)27-11-26-18/h3-10H,11H2,1-2H3,(H,22,23,25)